lithium;(E)-1-ethoxyprop-1-ene;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-2-ethoxyethenyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-oxoethyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;1-methylpiperazine;6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylic acid;palladium;tetrakis(triphenylphosphane);hydroxide

C152H172BrLiN16O14P4Pd — CID 161410672

About lithium;(E)-1-ethoxyprop-1-ene;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-2-ethoxyethenyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-oxoethyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;1-methylpiperazine;6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylic acid;palladium;tetrakis(triphenylphosphane);hydroxide

lithium;(E)-1-ethoxyprop-1-ene;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-2-ethoxyethenyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-oxoethyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;1-methylpiperazine;6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylic acid;palladium;tetrakis(triphenylphosphane);hydroxide (PubChem CID 161410672) has the molecular formula C152H172BrLiN16O14P4Pd and a molecular weight of 2764.31 g/mol. Its IUPAC name is lithium;(E)-1-ethoxyprop-1-ene;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-2-ethoxyethenyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-oxoethyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;1-methylpiperazine;6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylic acid;palladium;tetrakis(triphenylphosphane);hydroxide.

Molecular Properties

• Compound Name: lithium;(E)-1-ethoxyprop-1-ene;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-2-ethoxyethenyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-oxoethyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;1-methylpiperazine;6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylic acid;palladium;tetrakis(triphenylphosphane);hydroxide
• PubChem CID: 161410672
• Molecular Formula: C152H172BrLiN16O14P4Pd
• Molecular Weight: 2764.31 g/mol
• Exact Mass: 2761.06
• IUPAC Name: lithium;(E)-1-ethoxyprop-1-ene;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-2-ethoxyethenyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-oxoethyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;1-methylpiperazine;6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylic acid;palladium;tetrakis(triphenylphosphane);hydroxide
• SMILES: C.C.C/C=C/OCC.CCO/C=C/c1ccc2ncc(C(=O)OCC)n2c1.CCOC(=O)c1cnc2ccc(Br)cn12.CCOC(=O)c1cnc2ccc(CC=O)cn12.CCOC(=O)c1cnc2ccc(CCN3CCN(C)CC3)cn12.CN1CCN(CCc2ccc3ncc(C(=O)O)n3c2)CC1.CN1CCNCC1.[Li+].[OH-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/4C18H15P.C17H24N4O2.C15H20N4O2.C14H16N2O3.C12H12N2O3.C10H9BrN2O2.C5H12N2.C5H10O.2CH4.Li.H2O.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-23-17(22)15-12-18-16-5-4-14(13-21(15)16)6-7-20-10-8-19(2)9-11-20;1-17-6-8-18(9-7-17)5-4-12-2-3-14-16-10-13(15(20)21)19(14)11-12;1-3-18-8-7-11-5-6-13-15-9-12(16(13)10-11)14(17)19-4-2;1-2-17-12(16)10-7-13-11-4-3-9(5-6-15)8-14(10)11;1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9;1-7-4-2-6-3-5-7;1-3-5-6-4-2;;;;;/h4*1-15H;4-5,12-13H,3,6-11H2,1-2H3;2-3,10-11H,4-9H2,1H3,(H,20,21);5-10H,3-4H2,1-2H3;3-4,6-8H,2,5H2,1H3;3-6H,2H2,1H3;6H,2-5H2,1H3;3,5H,4H2,1-2H3;2*1H4;;1H2;/q;;;;;;;;;;;;;+1;;/p-1/b;;;;;;8-7+;;;;5-3+
• InChIKey: VVKQONDCYLUNAG-MFYKCPCFSA-M
• XLogP: 21.12
• TPSA: 322.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 34
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2764.31
LogP ≤ 5	21.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;(E)-1-ethoxyprop-1-ene;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-2-ethoxyethenyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-oxoethyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;1-methylpiperazine;6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylic acid;palladium;tetrakis(triphenylphosphane);hydroxide?

The IUPAC name of lithium;(E)-1-ethoxyprop-1-ene;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-2-ethoxyethenyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-oxoethyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;1-methylpiperazine;6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylic acid;palladium;tetrakis(triphenylphosphane);hydroxide (CID 161410672) is lithium;(E)-1-ethoxyprop-1-ene;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-2-ethoxyethenyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-oxoethyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;1-methylpiperazine;6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylic acid;palladium;tetrakis(triphenylphosphane);hydroxide.

What is the SMILES notation for lithium;(E)-1-ethoxyprop-1-ene;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-2-ethoxyethenyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-oxoethyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;1-methylpiperazine;6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylic acid;palladium;tetrakis(triphenylphosphane);hydroxide?

The canonical SMILES for lithium;(E)-1-ethoxyprop-1-ene;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-2-ethoxyethenyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-oxoethyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;1-methylpiperazine;6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylic acid;palladium;tetrakis(triphenylphosphane);hydroxide is C.C.C/C=C/OCC.CCO/C=C/c1ccc2ncc(C(=O)OCC)n2c1.CCOC(=O)c1cnc2ccc(Br)cn12.CCOC(=O)c1cnc2ccc(CC=O)cn12.CCOC(=O)c1cnc2ccc(CCN3CCN(C)CC3)cn12.CN1CCN(CCc2ccc3ncc(C(=O)O)n3c2)CC1.CN1CCNCC1.[Li+].[OH-].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of lithium;(E)-1-ethoxyprop-1-ene;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-2-ethoxyethenyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-oxoethyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;1-methylpiperazine;6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylic acid;palladium;tetrakis(triphenylphosphane);hydroxide?

The InChIKey is VVKQONDCYLUNAG-MFYKCPCFSA-M. The full InChI is InChI=1S/4C18H15P.C17H24N4O2.C15H20N4O2.C14H16N2O3.C12H12N2O3.C10H9BrN2O2.C5H12N2.C5H10O.2CH4.Li.H2O.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-23-17(22)15-12-18-16-5-4-14(13-21(15)16)6-7-20-10-8-19(2)9-11-20;1-17-6-8-18(9-7-17)5-4-12-2-3-14-16-10-13(15(20)21)19(14)11-12;1-3-18-8-7-11-5-6-13-15-9-12(16(13)10-11)14(17)19-4-2;1-2-17-12(16)10-7-13-11-4-3-9(5-6-15)8-14(10)11;1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9;1-7-4-2-6-3-5-7;1-3-5-6-4-2;;;;;/h4*1-15H;4-5,12-13H,3,6-11H2,1-2H3;2-3,10-11H,4-9H2,1H3,(H,20,21);5-10H,3-4H2,1-2H3;3-4,6-8H,2,5H2,1H3;3-6H,2H2,1H3;6H,2-5H2,1H3;3,5H,4H2,1-2H3;2*1H4;;1H2;/q;;;;;;;;;;;;;+1;;/p-1/b;;;;;;8-7+;;;;5-3+;;;;;.

What are the key properties of lithium;(E)-1-ethoxyprop-1-ene;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-2-ethoxyethenyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-oxoethyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;1-methylpiperazine;6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylic acid;palladium;tetrakis(triphenylphosphane);hydroxide?

lithium;(E)-1-ethoxyprop-1-ene;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-2-ethoxyethenyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-oxoethyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;1-methylpiperazine;6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylic acid;palladium;tetrakis(triphenylphosphane);hydroxide has a molecular weight of 2764.31 g/mol, XLogP of 21.12, 34 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(E)-1-ethoxyprop-1-ene;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-2-ethoxyethenyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(2-oxoethyl)imidazo[1,2-a]pyridine-3-carboxylate;methane;1-methylpiperazine;6-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxylic acid;palladium;tetrakis(triphenylphosphane);hydroxide is sourced from PubChem (CID 161410672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).